2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide

C22H30N2O5 — CID 25374410

IUPAC2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
SMILESCOCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1
InChIInChI=1S/C22H30N2O5/c1-26-15-18-10-9-17(29-18)14-24-11-5-6-16(13-24)12-23-22(25)19-7-4-8-20(27-2)21(19)28-3/h4,7-10,16H,5-6,11-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyIYMOTSQRBMSVTJ-MRXNPFEDSA-N
MW402.49 g/mol
LogP3.09
Rot. Bonds9

About 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide

2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide (PubChem CID 25374410) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
PubChem CID25374410
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
SMILESCOCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1
InChIInChI=1S/C22H30N2O5/c1-26-15-18-10-9-17(29-18)14-24-11-5-6-16(13-24)12-23-22(25)19-7-4-8-20(27-2)21(19)28-3/h4,7-10,16H,5-6,11-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyIYMOTSQRBMSVTJ-MRXNPFEDSA-N
XLogP3.09
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 26334003
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
CID 45210868
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide (CID 25374410) is 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide is COCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1.
What is the InChIKey of 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is IYMOTSQRBMSVTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-26-15-18-10-9-17(29-18)14-24-11-5-6-16(13-24)12-23-22(25)19-7-4-8-20(27-2)21(19)28-3/h4,7-10,16H,5-6,11-15H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide?
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 25374410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).